Sen Ji, Bo Xiao, Yanyang Han, Shanshan Liu, Ye Liu, Xin Yang, Kai Feng
{"title":"第一种碱金属/碱土金属草磷酸盐 Na4Mg3(HPO4)4(C2O4)-2H2O 的合成、结构和特性分析","authors":"Sen Ji, Bo Xiao, Yanyang Han, Shanshan Liu, Ye Liu, Xin Yang, Kai Feng","doi":"10.1016/j.jssc.2024.125086","DOIUrl":null,"url":null,"abstract":"<div><div>The first alkali-metal/alkaline-earth-metal oxalatophosphate Na<sub>4</sub>Mg<sub>3</sub>(HPO<sub>4</sub>)<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)·2H<sub>2</sub>O with monoclinic <span><math><mrow><mi>P</mi><msub><mn>2</mn><mn>1</mn></msub><mo>/</mo><mi>n</mi></mrow></math></span> space group was successfully synthesized by a conventional solvothermal method. Na<sub>4</sub>Mg<sub>3</sub>(HPO<sub>4</sub>)<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)·2H<sub>2</sub>O crystal exhibits a typical three-dimensional structure built by isolated [C<sub>2</sub>O<sub>4</sub>] and [HPO<sub>4</sub>] anionic groups connected by Na and Mg atoms. The HPO<sub>4</sub><sup>2−</sup> groups are linked by hydrogen bonds to form an unique one-dimensional zigzag band <sub>∞</sub>[HPO<sub>4</sub>]<sup>2-</sup>, which exhibits a stable “Mortise-Tenon” structure configuration within the <em>bc</em> plane. Fourier transform infrared (FTIR) spectrum and Raman spectrum confirm the crystal structure of Na<sub>4</sub>Mg<sub>3</sub>(HPO<sub>4</sub>)<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)·2H<sub>2</sub>O. UV–visible near infrared (UV–Vis–NIR) diffuse reflectance and band structure calculation indicate that Na<sub>4</sub>Mg<sub>3</sub>(HPO<sub>4</sub>)<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)·2H<sub>2</sub>O is an indirect bandgap semiconductor with a bandgap of 4.42 eV. In addition, Na<sub>4</sub>Mg<sub>3</sub>(HPO<sub>4</sub>)<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)·2H<sub>2</sub>O shows a moderate birefringence of 0.046 at 550 nm.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"341 ","pages":"Article 125086"},"PeriodicalIF":3.2000,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Synthesis, structure and characterizations of the first alkali-metal/alkaline-earth-metal oxalatophosphate Na4Mg3(HPO4)4(C2O4)·2H2O\",\"authors\":\"Sen Ji, Bo Xiao, Yanyang Han, Shanshan Liu, Ye Liu, Xin Yang, Kai Feng\",\"doi\":\"10.1016/j.jssc.2024.125086\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The first alkali-metal/alkaline-earth-metal oxalatophosphate Na<sub>4</sub>Mg<sub>3</sub>(HPO<sub>4</sub>)<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)·2H<sub>2</sub>O with monoclinic <span><math><mrow><mi>P</mi><msub><mn>2</mn><mn>1</mn></msub><mo>/</mo><mi>n</mi></mrow></math></span> space group was successfully synthesized by a conventional solvothermal method. Na<sub>4</sub>Mg<sub>3</sub>(HPO<sub>4</sub>)<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)·2H<sub>2</sub>O crystal exhibits a typical three-dimensional structure built by isolated [C<sub>2</sub>O<sub>4</sub>] and [HPO<sub>4</sub>] anionic groups connected by Na and Mg atoms. The HPO<sub>4</sub><sup>2−</sup> groups are linked by hydrogen bonds to form an unique one-dimensional zigzag band <sub>∞</sub>[HPO<sub>4</sub>]<sup>2-</sup>, which exhibits a stable “Mortise-Tenon” structure configuration within the <em>bc</em> plane. Fourier transform infrared (FTIR) spectrum and Raman spectrum confirm the crystal structure of Na<sub>4</sub>Mg<sub>3</sub>(HPO<sub>4</sub>)<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)·2H<sub>2</sub>O. UV–visible near infrared (UV–Vis–NIR) diffuse reflectance and band structure calculation indicate that Na<sub>4</sub>Mg<sub>3</sub>(HPO<sub>4</sub>)<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)·2H<sub>2</sub>O is an indirect bandgap semiconductor with a bandgap of 4.42 eV. In addition, Na<sub>4</sub>Mg<sub>3</sub>(HPO<sub>4</sub>)<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)·2H<sub>2</sub>O shows a moderate birefringence of 0.046 at 550 nm.</div></div>\",\"PeriodicalId\":378,\"journal\":{\"name\":\"Journal of Solid State Chemistry\",\"volume\":\"341 \",\"pages\":\"Article 125086\"},\"PeriodicalIF\":3.2000,\"publicationDate\":\"2024-10-31\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Solid State Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022459624005401\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Solid State Chemistry","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022459624005401","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
Synthesis, structure and characterizations of the first alkali-metal/alkaline-earth-metal oxalatophosphate Na4Mg3(HPO4)4(C2O4)·2H2O
The first alkali-metal/alkaline-earth-metal oxalatophosphate Na4Mg3(HPO4)4(C2O4)·2H2O with monoclinic space group was successfully synthesized by a conventional solvothermal method. Na4Mg3(HPO4)4(C2O4)·2H2O crystal exhibits a typical three-dimensional structure built by isolated [C2O4] and [HPO4] anionic groups connected by Na and Mg atoms. The HPO42− groups are linked by hydrogen bonds to form an unique one-dimensional zigzag band ∞[HPO4]2-, which exhibits a stable “Mortise-Tenon” structure configuration within the bc plane. Fourier transform infrared (FTIR) spectrum and Raman spectrum confirm the crystal structure of Na4Mg3(HPO4)4(C2O4)·2H2O. UV–visible near infrared (UV–Vis–NIR) diffuse reflectance and band structure calculation indicate that Na4Mg3(HPO4)4(C2O4)·2H2O is an indirect bandgap semiconductor with a bandgap of 4.42 eV. In addition, Na4Mg3(HPO4)4(C2O4)·2H2O shows a moderate birefringence of 0.046 at 550 nm.
期刊介绍：
Covering major developments in the field of solid state chemistry and related areas such as ceramics and amorphous materials, the Journal of Solid State Chemistry features studies of chemical, structural, thermodynamic, electronic, magnetic, and optical properties and processes in solids.
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